Consensus flow list

Identity

Substance
fo-5df9cce510117bdc ChemicalSalt
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Unknown
CAS
73037-34-0
EC
277-242-0

Context

Dimension
Environmental
Media
Water
Water body
Unknown

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 9291b0a8-01b6-442a-8687-f4e1278a589d disodium oxybis(methylbenzenesulfonate) The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 9291b0a8-01b6-442a-8687-f4e1278a589d disodium oxybis(methylbenzenesulfonate) Emissions/Emissions to water/Emissions to water, unspecified exactMatch

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, oxybis[methyl-, disodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73037-34-0",
          "https://commonchemistry.cas.org/detail?cas_rn=73037-34-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, oxybis[methyl-, sodium salt (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73037-34-0",
          "https://commonchemistry.cas.org/detail?cas_rn=73037-34-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H12Na2O7S2"
      ],
      "attested_by": {
        "C14H12Na2O7S2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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            "CID:53471251"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KIJXFUZOQIQMKG-UHFFFAOYSA-L",
        "UGVJAWDVDTXCQA-UHFFFAOYSA-L"
      ],
      "attested_by": {
        "KIJXFUZOQIQMKG-UHFFFAOYSA-L": [
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          "rdkit_post_consensus"
        ],
        "UGVJAWDVDTXCQA-UHFFFAOYSA-L": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:175398",
            "CID:53471251"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Disodium Oxybis(methylbenzenesulfonate)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H14O7S2.2Na/c1-9-5-3-7-11(22(15,16)17)13(9)21-14-10(2)6-4-8-12(14)23(18,19)20;;/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Disodium Oxybis(methylbenzenesulfonate)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H14O7S2.2Na/c1-9-5-3-7-11(22(15,16)17)13(9)21-14-10(2)6-4-8-12(14)23(18,19)20;;/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Disodium Oxybis(methylbenzenesulfonate)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Disodium Oxybis(methylbenzenesulfonate)"
        ]
      },
      "attested_by": {
        "Disodium Oxybis(methylbenzenesulfonate)": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.070.199",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:175398;CAS:73037-34-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73037-34-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=73037-34-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73037-34-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00890327",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73037-34-0]"
      }
    },
    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[73037-34-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/53471251",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:53471251;CAS:73037-34-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[73037-34-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82870175",
      "provenance": {
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        "prov:hadPrimarySource": [
          "CID:53471251;CAS:73037-34-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73037-34-0]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Disodium Oxybis(methylbenzenesulfonate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "9291b0a8-01b6-442a-8687-f4e1278a589d",
  "identifier": "9291b0a8-01b6-442a-8687-f4e1278a589d",
  "source": "EF 3.1",
  "cas_numbers": [
    "73037-34-0"
  ],
  "ec_numbers": [
    "277-242-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 687.76
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.1148e-8
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.1148e-8
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 687.76
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-5df9cce510117bdc",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/9291b0a8-01b6-442a-8687-f4e1278a589d",
        "skos:prefLabel": "disodium oxybis(methylbenzenesulfonate)",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/9291b0a8-01b6-442a-8687-f4e1278a589d"
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      },
      "xkos:targetConcept": {
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      },
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "withhold_ambiguous_mass",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "73037-34-0": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "disodium oxybis(methylbenzenesulfonate)",
    "synonyms": [
      "organic",
      "disodiumoxybis[methylbenzenesulphonate]"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified"
    ],
    "cas_numbers": [
      "73037-34-0"
    ],
    "ec_numbers": [
      "277-242-0"
    ],
    "unit": "kg"
  }
}

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